SCHEMBL3944919

SCHEMBL3944919

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCCc4cccc(Cl)c4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.49
BRD4 O60885 3/20 0.46
IKBKB O14920 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 2/20 0.39
LIMK2 P53671 2/20 0.39
NR1I2 O75469 1/20 0.39
LIMK1 P53667 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3944908 0.93 SERPINE1 (0.52) SERPINE1BRD4IKBKBRAB9AMAPT
SCHEMBL3942619 0.93 SERPINE1 (0.49) SERPINE1BRD4RAB9AMAPTPOLB
SCHEMBL3947603 0.93 SERPINE1 (0.51) SERPINE1BRD4IKBKBMAPTMEN1
SCHEMBL3943906 0.89 SERPINE1 (0.48) SERPINE1BRD4IKBKBRAB9AMAPT
SCHEMBL3944503 0.89 SERPINE1 (0.51) SERPINE1BRD4IKBKBRAB9AMAPT
SCHEMBL3943857 0.88 KMT2A (0.50) SERPINE1BRD4MAPTMEN1HTT
SCHEMBL3944965 0.88 SERPINE1 (0.47) SERPINE1BRD4RAB9AHTTPOLB
SCHEMBL3945245 0.87 SERPINE1 (0.51) SERPINE1BRD4IKBKBRAB9AMAPT
SCHEMBL3942021 0.87 BRD4 (0.54) SERPINE1BRD4IKBKBMAPTMEN1
SCHEMBL3945864 0.87 BRD4 (0.52) SERPINE1BRD4IKBKBMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
EP-1802572-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP claimed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 WO claimed
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP disclosed
EP-1802572-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP disclosed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed